SCHEMBL3516677

SCHEMBL3516677

CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc(O)c2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.60
KDM4E B2RXH2 3/20 0.42
GLA P06280 1/20 0.40
KMT2A Q03164 3/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MCHR1 Q99705 2/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
OPRD1 P41143 1/20 0.36
FAAH O00519 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3517508 0.92 PROKR2 (0.63) PROKR2KDM4EKMT2ACYP2D6ALDH1A1
SCHEMBL3516623 0.92 PROKR2 (0.63) PROKR2KDM4EKMT2ACYP2D6ALDH1A1
SCHEMBL387975 0.92 PROKR2 (0.63) PROKR2KDM4EKMT2ACYP2D6ALDH1A1
SCHEMBL564844 0.91 PROKR2 (0.59) PROKR2KDM4EGLAKMT2ACYP2D6
SCHEMBL3518564 0.90 PROKR2 (0.61) PROKR2KDM4EKMT2ACYP2D6ALDH1A1
SCHEMBL3516827 0.90 PROKR2 (0.64) PROKR2KDM4EGLAKMT2AALDH1A1
SCHEMBL3517887 0.89 PROKR2 (0.60) PROKR2KDM4EKMT2ACYP2D6ALDH1A1
SCHEMBL3517627 0.89 PROKR2 (0.60) PROKR2KDM4EKMT2ACYP2D6ALDH1A1
SCHEMBL3518041 0.89 PROKR2 (0.59) PROKR2KDM4EKMT2ACYP2D6ALDH1A1
SCHEMBL3520200 0.89 PROKR2 (0.59) PROKR2KDM4EKMT2ACYP2D6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP claimed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US claimed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US claimed
EP-1959959-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-27 EP claimed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 WO claimed
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists PROKR2, PROKR1, NTSR2 PROKR2 1/4885KDM4E 4734/4885GLA 3440/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.